Information card for entry 1512905

Structure parameters

• Common name: (2) Zr4(O)2(OFc)2(OPri)10
• Formula: C32 H72 O16 Zr4
• Calculated formula: C32 H72 O16 Zr4
• SMILES: [Zr]123([O]45[Zr]6([O]2C(C)C)([O]=CO1)(O[Zr]15([O]3C(C)C)([O]([Zr]4([O]6C(C)C)([O]=CO1)(OC(C)C)OC(C)C)C(C)C)OC(C)C)OC(C)C)(OC(C)C)OC(C)C
• Title of publication: Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez
• Journal of publication: Polyhedron
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 1727 - 1738
• a: 13.44 ± 0.002 Å
• b: 13.442 ± 0.002 Å
• c: 14.26 ± 0.002 Å
• α: 107.272 ± 0.002°
• β: 97.817 ± 0.002°
• γ: 96.66 ± 0.002°
• Cell volume: 2403.7 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No